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99409-34-4 | β-L-Galactopyranoside, ethyl 6-deoxy-2,3,4-tris-O-(phenylmethyl)-1-thio-
CAS No: 99409-34-4 Catalog No: AG000CE3 MDL No:MFCD00269994
Product Description
Catalog Number:
AG000CE3
Chemical Name:
β-L-Galactopyranoside, ethyl 6-deoxy-2,3,4-tris-O-(phenylmethyl)-1-thio-
CAS Number:
99409-34-4
Molecular Formula:
C29H34O4S
Molecular Weight:
478.6429
MDL Number:
MFCD00269994
IUPAC Name:
(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane
InChI:
InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29+/m0/s1
InChI Key:
RZVKVTBAQRMTEH-DQPHOHOGSA-N
SMILES:
CCS[C@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
EC Number:
815-387-9
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
478.218g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.647g/mol
Monoisotopic Mass:
478.218g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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